loading...| Preferred Name | wortmannin | |
| Synonyms |
Wartmannin (1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_52289 |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_50914 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_88230 |
|
| charge |
0 |
|
| formula |
C23H24O8 |
|
| has exact synonym |
(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50914 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_88230 |
|
| hasAlternativeId |
CHEBI:43674 |
|
| hasOBONamespace |
chebi_ontology |
|
| hasRelatedSynonym |
Wartmannin |
|
| id |
CHEBI:52289 |
|
| inchi |
InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 |
|
| inchikey |
QDLHCMPXEPAAMD-QAIWCSMKSA-N |
|
| inSubset | ||
| label |
wortmannin |
|
| mass |
428.437 |
|
| monoisotopicmass |
428.14712 |
|
| notation |
CHEBI:52289 |
|
| prefLabel |
wortmannin |
|
| smiles |
[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C |
|
| xRef |
CAS:19545-26-7 PMID:22056625 PMID:32052028 PMID:28474885 PMID:22003059 Beilstein:67676 PMID:11090628 PMID:30036994 PMID:27375631 KEGG:C15181 HMDB:HMDB0259902 PMID:34306363 PMID:28000865 Wikipedia:Wortmannin PMID:25449276 LINCS:LSM-3947 PMID:22524784 PDBeChem:KWT DrugBank:DB08059 KNApSAcK:C00023672 MetaCyc:CPD-11924 PMID:19805105 PMID:20017609 PMID:18703838 Reaxys:67676 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_38164 |